#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcm n LEU 2 N 0.00 0.61 -1.57 4.03 4.77 -1.26 -1.62 117.00 121.96 3dcm n LEU 2 Ca 0.00 0.75 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 3dcm n LEU 2 Cb 0.00 -0.78 0.25 0.00 -2.33 0.00 0.00 43.42 40.56 3dcm n LEU 2 CO 0.00 -0.87 0.77 -0.62 -1.33 0.00 0.00 177.39 175.34 3dcm n GLU 3 N -2.28 3.36 -2.77 3.23 -0.58 -1.26 -4.19 120.64 116.15 3dcm n GLU 3 Ca -0.01 -2.20 -0.00 0.00 -0.42 0.00 0.00 57.16 54.53 3dcm n GLU 3 Cb 0.08 -2.00 0.07 0.00 -0.57 0.00 0.00 31.44 29.02 3dcm n GLU 3 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3dcm n LYS 4 N 0.21 1.61 -4.99 3.49 4.81 -0.64 -4.77 118.16 117.88 3dcm n LYS 4 Ca 0.24 -2.96 -0.32 0.00 -0.87 0.00 0.00 58.31 54.40 3dcm n LYS 4 Cb 1.01 -1.12 -0.15 0.00 0.02 0.00 0.00 35.03 34.79 3dcm n LYS 4 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3dcm s VAL 5 N -2.85 2.63 0.21 3.15 1.01 -1.26 -1.97 120.40 121.33 3dcm s VAL 5 Ca 0.23 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.49 3dcm s VAL 5 Cb 0.35 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 3dcm s VAL 5 CO -0.06 0.55 -0.23 -0.31 0.00 0.00 0.00 175.10 175.05 3dcm s TYR 6 N 0.07 2.28 0.02 5.22 2.02 0.59 -0.18 117.35 127.37 3dcm s TYR 6 Ca -0.08 -0.36 0.05 0.00 -0.37 0.00 0.00 57.07 56.31 3dcm s TYR 6 Cb -0.15 -1.09 -0.02 0.00 -0.40 0.00 0.00 41.96 40.30 3dcm s TYR 6 CO 0.05 0.55 -0.15 0.54 -1.57 0.00 0.00 175.55 174.97 3dcm s VAL 7 N -1.90 1.17 -0.04 0.71 0.11 -0.48 -0.96 120.40 119.01 3dcm s VAL 7 Ca 0.23 -0.85 0.02 0.00 -2.93 0.00 0.00 61.98 58.45 3dcm s VAL 7 Cb -0.07 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.77 3dcm s VAL 7 CO 0.11 0.16 -0.07 0.00 -3.33 0.00 0.00 175.10 171.96 3dcm s ALA 8 N -0.62 0.82 -0.33 1.54 0.00 -0.15 -0.33 121.76 122.69 3dcm s ALA 8 Ca 0.04 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.64 3dcm s ALA 8 Cb -0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 3dcm s ALA 8 CO 0.01 0.08 0.30 -1.17 0.00 0.00 0.00 175.76 174.97 3dcm s LEU 9 N 0.53 4.43 -0.20 0.00 2.96 -0.14 -0.88 118.68 125.39 3dcm s LEU 9 Ca -0.08 -0.28 -0.14 0.00 -0.22 0.00 0.00 54.13 53.40 3dcm s LEU 9 Cb -0.12 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 3dcm s LEU 9 CO 0.01 -0.27 0.33 -0.63 -1.32 0.00 0.00 176.35 174.48 3dcm s ILE 10 N 1.87 5.25 -0.34 6.68 -1.09 0.30 -1.75 121.20 132.12 3dcm s ILE 10 Ca 0.09 0.57 0.09 0.00 -2.23 0.00 0.00 60.65 59.18 3dcm s ILE 10 Cb -0.17 -3.67 -0.11 0.00 -1.58 0.00 0.00 42.46 36.93 3dcm s ILE 10 CO 0.11 0.29 0.35 1.41 -1.23 0.00 0.00 174.94 175.87 3dcm n HIS 11 N 4.28 0.00 -3.64 3.97 8.25 -0.46 -3.14 115.22 124.48 3dcm n HIS 11 Ca -0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.26 3dcm n HIS 11 Cb 0.51 -0.05 -0.07 0.00 1.12 0.00 0.00 29.99 31.50 3dcm n HIS 11 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3dcm s TYR 12 N -2.05 -0.93 0.24 4.41 6.14 -1.26 -0.77 117.35 123.14 3dcm s TYR 12 Ca 0.02 1.99 -0.30 0.00 0.64 0.00 0.00 57.07 59.42 3dcm s TYR 12 Cb 0.07 0.48 -0.09 0.00 0.42 0.00 0.00 41.96 42.84 3dcm s TYR 12 CO 0.38 -0.45 1.03 -1.25 0.64 0.00 0.00 175.55 175.89 3dcm s PRO 13 N 1.13 4.73 0.03 4.97 0.04 -1.26 -4.62 135.00 140.02 3dcm s PRO 13 Ca -0.06 1.64 0.03 0.00 0.04 0.00 0.00 61.00 62.65 3dcm s PRO 13 Cb -0.05 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 3dcm s PRO 13 CO -0.12 0.32 -0.09 0.42 0.04 0.00 0.00 177.00 177.58 3dcm s ILE 14 N -0.99 0.67 0.13 0.56 -1.09 -0.82 -4.40 121.20 115.26 3dcm s ILE 14 Ca 0.44 -0.87 -0.31 0.00 -2.23 0.00 0.00 60.65 57.68 3dcm s ILE 14 Cb -0.29 -0.66 -0.08 0.00 -1.58 0.00 0.00 42.46 39.85 3dcm s ILE 14 CO 0.36 -0.17 1.30 -0.54 -1.23 0.00 0.00 174.94 174.66 3dcm s LYS 15 N -1.15 4.38 0.79 2.79 1.02 -0.75 0.40 119.74 127.23 3dcm s LYS 15 Ca -0.04 1.97 -0.05 0.00 0.02 0.00 0.00 55.97 57.87 3dcm s LYS 15 Cb -0.08 -3.26 0.15 0.00 -0.52 0.00 0.00 37.83 34.12 3dcm s LYS 15 CO 0.01 -0.31 1.09 0.20 -0.92 0.00 0.00 175.35 175.42 3dcm s GLY 16 N 0.83 1.77 0.46 -3.33 0.00 0.97 -1.48 107.32 106.54 3dcm s GLY 16 Ca 0.60 -1.61 0.14 0.00 0.00 0.00 0.00 44.72 43.84 3dcm s GLY 16 CO 0.32 -0.98 2.05 1.70 0.00 0.00 0.00 173.10 176.19 3dcm h LYS 17 N -0.86 0.30 -0.02 2.90 3.64 -1.96 0.85 116.57 121.42 3dcm h LYS 17 Ca -0.38 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3dcm h LYS 17 Cb 1.26 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3dcm h LYS 17 CO 0.39 0.20 -0.30 -0.40 -2.27 0.00 0.00 179.45 177.07 3dcm n ASP 18 N -4.48 1.99 -2.41 4.20 5.75 -1.26 -5.00 116.55 115.35 3dcm n ASP 18 Ca 0.05 -1.49 -0.06 0.00 -0.01 0.00 0.00 54.79 53.28 3dcm n ASP 18 Cb 0.24 0.27 -0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3dcm n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dcm n GLY 19 N 1.37 -0.45 0.00 6.12 0.00 0.30 -5.01 105.19 107.52 3dcm n GLY 19 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3dcm n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dcm n SER 20 N -1.54 0.00 -4.68 1.61 3.41 -1.26 -4.73 113.62 106.43 3dcm n SER 20 Ca -0.07 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.14 3dcm n SER 20 Cb 0.53 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 3dcm n SER 20 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dcm s ILE 21 N 0.00 4.99 0.39 -1.33 -1.09 -1.26 -0.02 121.20 122.87 3dcm s ILE 21 Ca 0.00 1.42 0.06 0.00 -2.23 0.00 0.00 60.65 59.89 3dcm s ILE 21 Cb 0.00 -4.04 -0.07 0.00 -1.58 0.00 0.00 42.46 36.77 3dcm s ILE 21 CO 0.00 0.13 0.03 0.27 -1.23 0.00 0.00 174.94 174.14 3dcm s ILE 22 N 1.59 1.66 -0.21 2.92 -4.36 0.16 -4.87 121.20 118.08 3dcm s ILE 22 Ca 0.35 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 3dcm s ILE 22 Cb -0.17 -2.88 0.05 0.00 1.25 0.00 0.00 42.46 40.71 3dcm s ILE 22 CO 0.14 0.00 -0.11 -0.55 0.24 0.00 0.00 174.94 174.65 3dcm s SER 23 N -3.64 3.66 0.30 4.36 0.15 -1.26 -1.94 113.70 115.33 3dcm s SER 23 Ca 0.34 -1.01 -0.11 0.00 0.70 0.00 0.00 55.95 55.88 3dcm s SER 23 Cb 0.09 -1.34 -0.07 0.00 -1.71 0.00 0.00 66.02 62.99 3dcm s SER 23 CO 0.16 -0.14 0.65 0.42 1.20 0.00 0.00 173.24 175.53 3dcm s THR 24 N 1.31 4.84 0.49 6.45 -4.23 0.05 -5.01 115.64 119.54 3dcm s THR 24 Ca -0.03 0.58 -0.22 0.00 -1.18 0.00 0.00 61.69 60.84 3dcm s THR 24 Cb -0.17 -3.65 -0.06 0.00 1.34 0.00 0.00 72.50 69.95 3dcm s THR 24 CO -0.08 -0.23 1.21 0.00 -0.54 0.00 0.00 174.62 174.99 3dcm s ALA 25 N -2.01 2.90 -0.22 3.99 0.00 -1.26 -4.87 121.76 120.29 3dcm s ALA 25 Ca 0.50 1.03 -0.26 0.00 0.00 0.00 0.00 51.96 53.23 3dcm s ALA 25 Cb -0.11 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 3dcm s ALA 25 CO 0.23 -0.87 0.91 0.08 0.00 0.00 0.00 175.76 176.11 3dcm s VAL 26 N -1.49 4.79 -0.06 0.00 1.01 -1.26 -5.02 120.40 118.36 3dcm s VAL 26 Ca 0.67 1.75 -0.30 0.00 0.00 0.00 0.00 61.98 64.10 3dcm s VAL 26 Cb -0.31 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 3dcm s VAL 26 CO 0.38 -0.09 1.01 0.42 0.00 0.00 0.00 175.10 176.81 3dcm s THR 27 N 2.82 4.78 0.24 3.92 -4.23 -1.26 -4.94 115.64 116.98 3dcm s THR 27 Ca 0.39 2.02 -0.04 0.00 -1.18 0.00 0.00 61.69 62.88 3dcm s THR 27 Cb -0.15 -4.30 0.22 0.00 1.34 0.00 0.00 72.50 69.60 3dcm s THR 27 CO 0.08 0.06 1.72 -1.13 -0.54 0.00 0.00 174.62 174.81 3dcm h ASN 28 N 7.00 0.24 -0.09 3.99 -1.24 -2.02 -1.40 115.58 122.05 3dcm h ASN 28 Ca -0.35 0.11 0.01 0.00 0.71 0.00 0.00 56.30 56.79 3dcm h ASN 28 Cb 1.17 0.10 -0.00 0.00 0.73 0.00 0.00 38.32 40.32 3dcm h ASN 28 CO 0.82 0.08 0.06 -0.07 -1.29 0.00 0.00 177.43 177.03 3dcm h LEU 29 N 0.42 0.07 -1.64 0.34 4.07 -2.00 -1.93 115.31 114.63 3dcm h LEU 29 Ca 0.41 -0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.38 3dcm h LEU 29 Cb 0.64 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.34 3dcm h LEU 29 CO -0.42 0.05 0.25 0.44 -1.08 0.00 0.00 178.44 177.68 3dcm h ASP 30 N 0.08 0.42 0.25 -0.43 3.32 -1.65 0.19 116.42 118.59 3dcm h ASP 30 Ca 0.04 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3dcm h ASP 30 Cb 0.06 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3dcm h ASP 30 CO -0.01 0.30 -0.12 0.58 -1.72 0.00 0.00 179.24 178.28 3dcm h VAL 31 N 0.49 0.76 -0.65 -1.35 2.07 -1.42 -2.65 116.25 113.51 3dcm h VAL 31 Ca 0.14 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3dcm h VAL 31 Cb -0.04 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3dcm h VAL 31 CO -0.03 0.15 0.31 0.45 0.02 0.00 0.00 177.57 178.48 3dcm h HIS 32 N -0.79 0.93 0.22 1.57 3.86 -1.53 -2.35 115.15 117.06 3dcm h HIS 32 Ca -0.03 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 3dcm h HIS 32 Cb 0.51 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3dcm h HIS 32 CO 0.05 0.70 -0.11 0.22 0.86 0.00 0.00 177.93 179.65 3dcm h ASP 33 N 0.89 -0.25 0.93 2.45 1.82 -0.69 -2.13 116.42 119.44 3dcm h ASP 33 Ca 0.22 -0.21 -0.13 0.00 -0.39 0.00 0.00 57.03 56.52 3dcm h ASP 33 Cb 0.11 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 3dcm h ASP 33 CO -0.03 0.09 -0.60 0.40 -1.61 0.00 0.00 179.24 177.49 3dcm h ILE 34 N -0.63 1.22 -0.54 2.25 2.04 -1.56 -2.62 117.51 117.69 3dcm h ILE 34 Ca -0.03 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.60 3dcm h ILE 34 Cb 0.45 2.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 3dcm h ILE 34 CO 0.05 0.59 0.34 0.00 0.00 0.00 0.00 178.15 179.13 3dcm h ALA 35 N 1.40 0.68 -0.77 1.87 0.00 -1.40 0.51 119.26 121.55 3dcm h ALA 35 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dcm h ALA 35 Cb 1.23 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3dcm h ALA 35 CO 0.08 0.15 0.44 0.00 0.00 0.00 0.00 179.25 179.91 3dcm h ARG 36 N 0.72 1.07 -0.18 0.00 3.08 -1.19 0.72 114.38 118.60 3dcm h ARG 36 Ca 0.19 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3dcm h ARG 36 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3dcm h ARG 36 CO -0.04 0.78 0.04 1.15 -1.07 0.00 0.00 179.97 180.83 3dcm h THR 37 N 1.07 1.21 -0.68 2.04 2.02 -1.23 -0.39 112.91 116.94 3dcm h THR 37 Ca 0.27 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.82 3dcm h THR 37 Cb 0.01 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 3dcm h THR 37 CO -0.05 0.20 0.42 0.00 0.37 0.00 0.00 175.52 176.47 3dcm h ALA 38 N 0.84 0.89 -0.38 6.16 0.00 -0.72 -2.36 119.26 123.69 3dcm h ALA 38 Ca 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3dcm h ALA 38 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3dcm h ALA 38 CO 0.00 0.18 0.02 -0.09 0.00 0.00 0.00 179.25 179.37 3dcm h ARG 39 N 0.82 0.65 -0.97 0.00 9.65 -0.69 -0.61 114.38 123.23 3dcm h ARG 39 Ca 0.28 -0.20 0.10 0.00 -1.10 0.00 0.00 59.98 59.06 3dcm h ARG 39 Cb 0.03 -0.07 -0.08 0.00 -1.39 0.00 0.00 29.97 28.47 3dcm h ARG 39 CO -0.11 0.74 0.61 1.15 2.80 0.00 0.00 179.97 185.16 3dcm h THR 40 N 0.48 0.97 -0.59 0.20 2.02 -0.84 -2.23 112.91 112.92 3dcm h THR 40 Ca 0.11 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3dcm h THR 40 Cb 0.43 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3dcm h THR 40 CO 0.02 0.19 0.00 -1.22 0.37 0.00 0.00 175.52 174.87 3dcm n TYR 41 N -4.60 1.08 -3.57 3.16 4.01 -0.91 -4.95 117.16 111.38 3dcm n TYR 41 Ca 0.17 -0.47 -0.26 0.00 -0.16 0.00 0.00 57.90 57.18 3dcm n TYR 41 Cb 0.29 -0.12 0.05 0.00 -0.31 0.00 0.00 39.34 39.24 3dcm n TYR 41 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3dcm n ASN 42 N 1.12 -5.60 -4.77 7.72 4.13 -0.80 -4.99 115.26 112.07 3dcm n ASN 42 Ca 0.22 -0.55 -0.32 0.00 1.68 0.00 0.00 54.58 55.60 3dcm n ASN 42 Cb 0.67 -4.47 0.07 0.00 -1.54 0.00 0.00 39.78 34.52 3dcm n ASN 42 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3dcm s LEU 43 N -7.11 3.17 0.04 3.41 1.43 -0.30 -4.60 118.68 114.72 3dcm s LEU 43 Ca 0.54 1.90 -0.04 0.00 -1.03 0.00 0.00 54.13 55.50 3dcm s LEU 43 Cb -0.26 -4.53 -0.28 0.00 0.03 0.00 0.00 46.19 41.15 3dcm s LEU 43 CO 0.67 -1.89 1.02 0.50 0.23 0.00 0.00 176.35 176.88 3dcm h LYS 44 N -0.67 0.27 -2.30 1.70 3.64 -0.87 -3.45 116.57 114.88 3dcm h LYS 44 Ca -0.45 -0.46 -0.04 0.00 -1.27 0.00 0.00 60.65 58.43 3dcm h LYS 44 Cb 1.24 0.17 -0.17 0.00 -0.41 0.00 0.00 32.23 33.06 3dcm h LYS 44 CO 0.52 1.18 0.21 0.20 -2.27 0.00 0.00 179.45 179.29 3dcm s GLY 45 N -4.78 -0.58 -0.20 5.01 0.00 -1.25 -4.91 107.32 100.62 3dcm s GLY 45 Ca -0.06 1.08 -0.00 0.00 0.00 0.00 0.00 44.72 45.74 3dcm s GLY 45 CO 0.87 0.71 -0.05 -0.47 0.00 0.00 0.00 173.10 174.16 3dcm s TYR 46 N -2.01 2.02 -0.12 1.90 5.04 -0.47 -1.38 117.35 122.32 3dcm s TYR 46 Ca -0.07 -1.40 -0.15 0.00 -2.44 0.00 0.00 57.07 53.01 3dcm s TYR 46 Cb -0.00 -1.44 -0.05 0.00 0.35 0.00 0.00 41.96 40.82 3dcm s TYR 46 CO 0.02 -0.70 0.35 0.71 -1.34 0.00 0.00 175.55 174.60 3dcm s TYR 47 N 1.53 3.52 -0.31 4.97 2.02 0.56 -1.08 117.35 128.56 3dcm s TYR 47 Ca -0.02 0.73 -0.10 0.00 -0.37 0.00 0.00 57.07 57.31 3dcm s TYR 47 Cb -0.17 -2.37 -0.01 0.00 -0.40 0.00 0.00 41.96 39.01 3dcm s TYR 47 CO -0.07 0.31 0.17 0.42 -1.57 0.00 0.00 175.55 174.81 3dcm s ILE 48 N 0.19 4.75 -0.29 2.71 -1.09 -0.20 -0.96 121.20 126.30 3dcm s ILE 48 Ca 0.20 -0.36 -0.06 0.00 -2.23 0.00 0.00 60.65 58.21 3dcm s ILE 48 Cb -0.14 -3.42 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 3dcm s ILE 48 CO 0.07 0.06 0.06 -0.69 -1.23 0.00 0.00 174.94 173.21 3dcm s VAL 49 N 1.64 3.70 -0.20 2.92 1.01 -0.72 -1.32 120.40 127.43 3dcm s VAL 49 Ca 0.05 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 3dcm s VAL 49 Cb -0.17 -2.94 0.06 0.00 0.00 0.00 0.00 36.38 33.33 3dcm s VAL 49 CO 0.07 0.05 0.50 0.28 0.00 0.00 0.00 175.10 176.00 3dcm s THR 50 N 1.44 -0.01 -2.11 3.92 -1.32 -0.70 -1.36 115.64 115.50 3dcm s THR 50 Ca 0.01 0.05 0.19 0.00 -1.21 0.00 0.00 61.69 60.73 3dcm s THR 50 Cb -0.18 -0.72 0.49 0.00 -1.51 0.00 0.00 72.50 70.59 3dcm s THR 50 CO 0.01 0.02 1.44 -0.46 -2.21 0.00 0.00 174.62 173.42 3dcm n ASN 51 N 3.82 3.01 -4.55 8.08 6.94 -1.15 -4.15 115.26 127.26 3dcm n ASN 51 Ca -0.20 -1.97 -0.42 0.00 -0.02 0.00 0.00 54.58 51.98 3dcm n ASN 51 Cb 0.56 -0.33 -0.07 0.00 -2.36 0.00 0.00 39.78 37.58 3dcm n ASN 51 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3dcm s LEU 52 N -1.15 4.38 0.43 -4.53 1.43 -1.26 -4.96 118.68 113.02 3dcm s LEU 52 Ca 0.38 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.49 3dcm s LEU 52 Cb 0.20 -2.68 0.92 0.00 0.03 0.00 0.00 46.19 44.66 3dcm s LEU 52 CO 0.27 -0.60 2.07 0.08 0.23 0.00 0.00 176.35 178.41 3dcm h ARG 53 N 8.58 0.46 -0.71 1.70 0.11 -1.99 -0.36 114.38 122.17 3dcm h ARG 53 Ca -0.27 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.76 3dcm h ARG 53 Cb 1.11 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 32.05 3dcm h ARG 53 CO 0.83 0.31 0.36 0.00 0.10 0.00 0.00 179.97 181.56 3dcm h ALA 54 N 1.78 1.30 -0.15 0.08 0.00 -1.99 -0.46 119.26 119.82 3dcm h ALA 54 Ca 0.13 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3dcm h ALA 54 Cb -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3dcm h ALA 54 CO -0.03 0.56 -0.39 1.96 0.00 0.00 0.00 179.25 181.35 3dcm h GLN 55 N 1.00 0.52 -0.93 0.00 1.08 -1.63 -2.16 115.11 112.99 3dcm h GLN 55 Ca 0.25 -0.37 0.05 0.00 -1.45 0.00 0.00 58.65 57.13 3dcm h GLN 55 Cb 0.07 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.50 3dcm h GLN 55 CO -0.04 0.98 0.61 1.96 -0.95 0.00 0.00 178.83 181.39 3dcm h GLN 56 N 0.15 1.08 0.10 1.46 4.20 -0.97 -0.22 115.11 120.91 3dcm h GLN 56 Ca -0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3dcm h GLN 56 Cb 1.00 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.54 3dcm h GLN 56 CO 0.08 0.72 -0.05 0.22 -0.67 0.00 0.00 178.83 179.13 3dcm h ASP 57 N 1.12 -0.12 -0.39 1.46 3.58 -1.08 -1.25 116.42 119.74 3dcm h ASP 57 Ca 0.38 -0.29 0.06 0.00 0.42 0.00 0.00 57.03 57.60 3dcm h ASP 57 Cb 0.10 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.13 3dcm h ASP 57 CO -0.13 0.24 0.06 -0.03 -2.88 0.00 0.00 179.24 176.50 3dcm h MET 58 N -0.49 0.18 -0.41 0.28 4.05 -1.13 -1.00 114.93 116.39 3dcm h MET 58 Ca -0.01 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 3dcm h MET 58 Cb 0.41 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 3dcm h MET 58 CO 0.02 0.12 0.13 0.28 0.23 0.00 0.00 176.91 177.69 3dcm h VAL 59 N 0.18 1.22 -0.51 -5.77 2.07 -1.07 -1.43 116.25 110.93 3dcm h VAL 59 Ca 0.19 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3dcm h VAL 59 Cb 0.24 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3dcm h VAL 59 CO -0.26 0.25 0.31 0.28 0.02 0.00 0.00 177.57 178.17 3dcm h SER 60 N 0.52 0.50 -0.26 0.57 0.02 -0.99 0.12 113.55 114.04 3dcm h SER 60 Ca 0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3dcm h SER 60 Cb 0.26 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3dcm h SER 60 CO -0.00 0.36 0.09 0.11 -1.14 0.00 0.00 176.83 176.24 3dcm h LYS 61 N 0.62 0.39 -0.69 3.45 1.57 -1.11 -1.96 116.57 118.83 3dcm h LYS 61 Ca 0.20 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3dcm h LYS 61 Cb 0.01 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3dcm h LYS 61 CO -0.09 0.45 0.43 1.98 -0.57 0.00 0.00 179.45 181.65 3dcm h MET 62 N 0.25 0.83 -0.29 3.15 4.05 -1.04 -1.34 114.93 120.54 3dcm h MET 62 Ca 0.08 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 3dcm h MET 62 Cb 0.21 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 3dcm h MET 62 CO -0.00 0.55 0.19 -0.07 0.23 0.00 0.00 176.91 177.80 3dcm h LEU 63 N 0.85 0.33 -0.79 3.39 4.07 -0.54 -2.33 115.31 120.29 3dcm h LEU 63 Ca 0.28 -0.02 -0.11 0.00 0.08 0.00 0.00 57.88 58.11 3dcm h LEU 63 Cb 0.01 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 3dcm h LEU 63 CO -0.11 0.25 -0.54 0.07 -1.08 0.00 0.00 178.44 177.04 3dcm h LYS 64 N 0.39 0.00 -0.17 1.13 2.10 -1.15 0.28 116.57 119.15 3dcm h LYS 64 Ca 0.11 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.78 3dcm h LYS 64 Cb -0.03 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.27 3dcm h LYS 64 CO -0.02 0.54 0.00 0.35 -2.00 0.00 0.00 179.45 178.32 3dcm h PHE 65 N 0.00 0.00 0.00 0.07 3.57 -1.09 0.70 116.94 120.19 3dcm h PHE 65 Ca -0.01 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3dcm h PHE 65 Cb 1.05 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 3dcm h PHE 65 CO 0.00 -0.02 -0.38 -1.49 -2.23 0.00 0.00 178.31 174.20 3dcm h TRP 66 N 0.06 0.00 0.00 0.41 4.06 -1.22 -2.21 115.95 117.05 3dcm h TRP 66 Ca 0.08 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.66 3dcm h TRP 66 Cb 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.18 3dcm h TRP 66 CO -0.15 0.09 -2.36 0.54 -3.56 0.00 0.00 178.44 172.99 3dcm n ARG 67 N -3.00 0.69 0.00 0.49 1.74 0.98 -2.90 116.66 114.65 3dcm n ARG 67 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3dcm n ARG 67 Cb 0.58 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 3dcm n ARG 67 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3dcm n GLU 68 N -2.76 0.34 0.00 5.56 2.13 0.91 -4.83 120.64 121.99 3dcm n GLU 68 Ca -0.32 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.50 3dcm n GLU 68 Cb 1.16 -0.88 0.00 0.00 0.27 0.00 0.00 31.44 31.99 3dcm n GLU 68 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dcm n GLY 69 N 2.94 -1.07 0.36 8.31 0.00 0.21 -4.78 105.19 111.17 3dcm n GLY 69 Ca 0.00 -1.58 0.06 0.00 0.00 0.00 0.00 46.02 44.50 3dcm n GLY 69 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dcm h PHE 70 N -0.12 0.96 -0.91 1.61 3.57 -1.88 -1.91 116.94 118.27 3dcm h PHE 70 Ca 0.00 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.72 3dcm h PHE 70 Cb 0.00 -0.31 -0.07 0.00 2.79 0.00 0.00 35.95 38.35 3dcm h PHE 70 CO 0.00 0.48 0.59 0.78 -2.23 0.00 0.00 178.31 177.93 3dcm h GLY 71 N 0.92 1.05 1.77 2.40 0.00 -1.73 -0.32 103.07 107.17 3dcm h GLY 71 Ca 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3dcm h GLY 71 CO -0.15 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.25 3dcm n SER 72 N -4.55 0.00 -0.18 0.19 3.41 -0.72 -2.53 113.62 109.25 3dcm n SER 72 Ca 0.19 0.27 0.02 0.00 -0.26 0.00 0.00 58.87 59.09 3dcm n SER 72 Cb 0.64 -0.39 0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3dcm n SER 72 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dcm n ARG 73 N -1.39 1.02 0.00 4.33 1.74 -0.14 -4.61 116.66 117.62 3dcm n ARG 73 Ca 0.06 -1.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 3dcm n ARG 73 Cb 0.15 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 3dcm n ARG 73 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 3dcm n TYR 74 N 0.05 0.00 -0.01 -1.55 0.18 -1.19 -4.98 117.16 109.66 3dcm n TYR 74 Ca 0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.81 3dcm n TYR 74 Cb 0.19 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.15 3dcm n TYR 74 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 3dcm n ASN 75 N -0.17 0.00 0.00 9.48 3.02 -1.05 -5.07 115.26 121.47 3dcm n ASN 75 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3dcm n ASN 75 Cb 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3dcm n ASN 75 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3dcm n PRO 76 N 0.00 0.00 -3.22 3.52 -0.02 -1.26 -4.88 135.00 129.13 3dcm n PRO 76 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.24 3dcm n PRO 76 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 3dcm n PRO 76 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3dcm n SER 77 N 0.00 -0.06 -0.05 2.55 7.64 -1.26 -4.92 113.62 117.53 3dcm n SER 77 Ca 0.00 -2.63 -0.09 0.00 1.01 0.00 0.00 58.87 57.16 3dcm n SER 77 Cb 0.00 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 62.56 3dcm n SER 77 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3dcm h ARG 78 N 4.37 -0.03 -0.50 1.43 9.65 -1.92 -3.36 114.38 124.02 3dcm h ARG 78 Ca 0.11 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 3dcm h ARG 78 Cb 0.89 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.45 3dcm h ARG 78 CO 0.43 0.56 0.16 0.00 2.80 0.00 0.00 179.97 183.93 3dcm h ALA 79 N -0.35 1.34 -0.09 2.80 0.00 -1.89 -0.65 119.26 120.43 3dcm h ALA 79 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3dcm h ALA 79 Cb 0.61 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3dcm h ALA 79 CO 0.01 0.48 0.05 1.49 0.00 0.00 0.00 179.25 181.27 3dcm h GLU 80 N 0.73 0.13 -0.22 0.00 4.57 -1.91 -2.39 114.58 115.48 3dcm h GLU 80 Ca 0.17 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.20 3dcm h GLU 80 Cb 0.21 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3dcm h GLU 80 CO -0.01 0.18 -0.43 0.66 -1.18 0.00 0.00 179.01 178.23 3dcm h SER 81 N 0.04 0.58 0.96 1.04 4.64 -1.65 -3.22 113.55 115.95 3dcm h SER 81 Ca 0.03 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3dcm h SER 81 Cb 0.09 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3dcm h SER 81 CO -0.00 0.94 0.00 0.18 -0.87 0.00 0.00 176.83 177.07 3dcm n LEU 82 N -4.01 0.63 0.28 5.97 4.77 -0.27 -2.92 117.00 121.45 3dcm n LEU 82 Ca -0.02 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.72 3dcm n LEU 82 Cb 0.53 -0.48 0.84 0.00 -2.33 0.00 0.00 43.42 41.98 3dcm n LEU 82 CO 0.45 -0.39 1.07 0.07 -1.33 0.00 0.00 177.39 177.27 3dcm h LYS 83 N 0.00 0.00 0.00 3.23 2.10 -1.44 -2.02 116.57 118.44 3dcm h LYS 83 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dcm h LYS 83 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 3dcm h LYS 83 CO 0.00 0.04 0.00 -0.07 -2.00 0.00 0.00 179.45 177.42 3dcm h LEU 84 N 0.00 0.00 -9.47 7.07 4.07 -1.75 -3.46 115.31 111.77 3dcm h LEU 84 Ca -0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 3dcm h LEU 84 Cb 0.11 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3dcm h LEU 84 CO 0.01 0.00 0.36 -0.69 -1.08 0.00 0.00 178.44 177.04 3dcm s VAL 85 N -3.32 4.74 -0.03 1.22 1.01 -0.76 -1.37 120.40 121.88 3dcm s VAL 85 Ca 0.06 2.06 0.03 0.00 0.00 0.00 0.00 61.98 64.12 3dcm s VAL 85 Cb 0.09 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.16 3dcm s VAL 85 CO 0.53 0.22 -0.11 -0.54 0.00 0.00 0.00 175.10 175.20 3dcm s LYS 86 N 0.64 1.23 -0.08 2.72 1.02 -0.24 -4.95 119.74 120.09 3dcm s LYS 86 Ca 0.50 -0.39 -0.18 0.00 0.02 0.00 0.00 55.97 55.92 3dcm s LYS 86 Cb -0.22 -1.11 -0.05 0.00 -0.52 0.00 0.00 37.83 35.93 3dcm s LYS 86 CO 0.29 0.14 0.49 -0.51 -0.92 0.00 0.00 175.35 174.83 3dcm s LEU 87 N 0.21 4.34 0.03 3.17 1.43 -1.26 -1.03 118.68 125.56 3dcm s LEU 87 Ca -0.04 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 3dcm s LEU 87 Cb -0.10 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 3dcm s LEU 87 CO 0.01 0.07 -0.05 -0.54 0.23 0.00 0.00 176.35 176.07 3dcm s LYS 88 N 0.19 0.40 0.14 1.70 -0.14 -0.43 -4.95 119.74 116.64 3dcm s LYS 88 Ca 0.27 -0.61 0.04 0.00 -1.36 0.00 0.00 55.97 54.30 3dcm s LYS 88 Cb -0.16 -0.11 -0.13 0.00 -1.68 0.00 0.00 37.83 35.75 3dcm s LYS 88 CO 0.12 0.01 1.31 0.77 -0.76 0.00 0.00 175.35 176.79 3dcm h SER 89 N 4.76 0.15 -5.17 2.83 0.02 -1.85 -1.86 113.55 112.43 3dcm h SER 89 Ca -0.33 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.36 3dcm h SER 89 Cb 1.21 -0.05 -0.16 0.00 0.14 0.00 0.00 62.40 63.54 3dcm h SER 89 CO 0.42 1.04 -0.61 -0.31 -1.14 0.00 0.00 176.83 176.24 3dcm s TYR 90 N -2.90 0.38 0.24 3.45 2.02 -1.26 -2.95 117.35 116.32 3dcm s TYR 90 Ca -0.01 -0.83 -0.06 0.00 -0.37 0.00 0.00 57.07 55.80 3dcm s TYR 90 Cb 0.10 -0.27 0.31 0.00 -0.40 0.00 0.00 41.96 41.69 3dcm s TYR 90 CO 0.83 -0.38 1.85 1.25 -1.57 0.00 0.00 175.55 177.53 3dcm h LEU 91 N 3.35 0.82 -1.30 -1.29 5.85 -1.92 -1.71 115.31 119.11 3dcm h LEU 91 Ca -0.33 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.51 3dcm h LEU 91 Cb 1.17 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 3dcm h LEU 91 CO 0.59 0.53 0.55 -0.08 -0.34 0.00 0.00 178.44 179.69 3dcm h GLU 92 N 0.95 0.73 -0.15 1.25 4.57 -1.98 -0.31 114.58 119.64 3dcm h GLU 92 Ca 0.36 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.38 3dcm h GLU 92 Cb 0.14 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 3dcm h GLU 92 CO -0.16 0.48 -0.39 -0.44 -1.18 0.00 0.00 179.01 177.32 3dcm h ASP 93 N 0.75 0.34 0.24 1.04 3.32 -1.73 -0.34 116.42 120.04 3dcm h ASP 93 Ca 0.40 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3dcm h ASP 93 Cb 0.53 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3dcm h ASP 93 CO -0.17 0.70 -0.12 0.58 -1.72 0.00 0.00 179.24 178.52 3dcm h VAL 94 N 0.27 0.82 -0.80 -1.35 2.07 -0.83 -1.51 116.25 114.92 3dcm h VAL 94 Ca 0.03 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.21 3dcm h VAL 94 Cb 0.82 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.58 3dcm h VAL 94 CO 0.06 0.09 0.47 -0.07 0.02 0.00 0.00 177.57 178.14 3dcm h LEU 95 N -0.54 0.69 -0.79 2.57 3.38 -0.93 -1.25 115.31 118.44 3dcm h LEU 95 Ca -0.03 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3dcm h LEU 95 Cb 0.40 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3dcm h LEU 95 CO 0.05 0.41 0.17 -0.08 0.09 0.00 0.00 178.44 179.09 3dcm h GLU 96 N 0.81 1.09 -0.14 1.13 4.81 -1.06 -1.62 114.58 119.61 3dcm h GLU 96 Ca 0.37 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3dcm h GLU 96 Cb 0.29 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3dcm h GLU 96 CO -0.22 0.95 0.00 0.22 -0.73 0.00 0.00 179.01 179.24 3dcm h ASP 97 N 1.03 0.23 -0.79 1.04 3.58 -0.38 -1.74 116.42 119.39 3dcm h ASP 97 Ca 0.22 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 3dcm h ASP 97 Cb 0.35 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.30 3dcm h ASP 97 CO 0.00 0.48 0.44 0.40 -2.88 0.00 0.00 179.24 177.68 3dcm h ILE 98 N -0.02 1.23 -0.80 2.25 2.04 -1.22 -0.21 117.51 120.79 3dcm h ILE 98 Ca 0.04 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.37 3dcm h ILE 98 Cb 0.35 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 3dcm h ILE 98 CO 0.01 0.25 0.51 -0.08 0.00 0.00 0.00 178.15 178.84 3dcm h GLU 99 N 1.09 0.95 -0.57 2.37 4.81 -1.21 0.52 114.58 122.54 3dcm h GLU 99 Ca 0.28 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 3dcm h GLU 99 Cb 0.02 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3dcm h GLU 99 CO -0.05 0.63 0.21 0.77 -0.73 0.00 0.00 179.01 179.84 3dcm h SER 100 N 0.98 0.81 -0.20 1.04 0.02 -0.74 0.29 113.55 115.76 3dcm h SER 100 Ca 0.32 -0.19 -0.17 0.00 -0.84 0.00 0.00 61.79 60.92 3dcm h SER 100 Cb 0.03 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.36 3dcm h SER 100 CO -0.12 0.78 -0.52 0.58 -1.14 0.00 0.00 176.83 176.41 3dcm h VAL 101 N 0.80 1.31 -0.00 2.27 2.07 -0.57 -3.36 116.25 118.77 3dcm h VAL 101 Ca 0.19 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.96 3dcm h VAL 101 Cb 0.24 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3dcm h VAL 101 CO -0.01 0.55 -0.70 -0.62 0.02 0.00 0.00 177.57 176.81 3dcm n GLU 102 N -4.12 1.84 -0.98 1.57 -0.58 0.18 -4.98 120.64 113.57 3dcm n GLU 102 Ca -0.06 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 3dcm n GLU 102 Cb 0.61 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 3dcm n GLU 102 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dcm n GLY 103 N 1.35 0.58 3.64 0.62 0.00 0.10 -4.98 105.19 106.50 3dcm n GLY 103 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3dcm n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dcm s GLU 104 N -0.02 0.61 0.39 1.61 2.12 -1.08 -4.99 118.70 117.34 3dcm s GLU 104 Ca 0.00 0.84 -0.26 0.00 0.36 0.00 0.00 54.97 55.91 3dcm s GLU 104 Cb 0.00 0.24 -0.09 0.00 0.26 0.00 0.00 34.13 34.54 3dcm s GLU 104 CO 0.00 -0.09 1.26 1.03 -0.54 0.00 0.00 175.26 176.92 3dcm s ARG 105 N 0.73 4.06 0.63 4.30 0.52 -1.26 -3.65 118.95 124.27 3dcm s ARG 105 Ca -0.02 2.07 -0.12 0.00 -0.52 0.00 0.00 55.73 57.14 3dcm s ARG 105 Cb -0.05 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 3dcm s ARG 105 CO -0.08 -0.39 1.03 -1.25 0.02 0.00 0.00 175.30 174.63 3dcm s PRO 106 N -2.17 3.44 0.10 3.54 0.04 -1.26 -4.74 135.00 133.95 3dcm s PRO 106 Ca 0.55 0.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.15 3dcm s PRO 106 Cb -0.36 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 3dcm s PRO 106 CO 0.47 -0.70 1.33 -0.51 0.04 0.00 0.00 177.00 177.62 3dcm s LEU 107 N -5.09 4.37 -0.23 -3.56 1.43 -0.09 -4.88 118.68 110.63 3dcm s LEU 107 Ca 0.57 2.23 -0.09 0.00 -1.03 0.00 0.00 54.13 55.80 3dcm s LEU 107 Cb -0.12 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 3dcm s LEU 107 CO 0.50 -0.59 0.13 -0.63 0.23 0.00 0.00 176.35 175.99 3dcm s ILE 108 N 1.07 5.10 -0.34 -0.59 1.01 -1.26 -0.50 121.20 125.70 3dcm s ILE 108 Ca 0.63 0.09 -0.08 0.00 0.00 0.00 0.00 60.65 61.29 3dcm s ILE 108 Cb -0.34 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 38.79 3dcm s ILE 108 CO 0.30 0.36 0.13 -0.36 0.00 0.00 0.00 174.94 175.36 3dcm s PHE 109 N 1.06 3.23 0.20 3.97 0.08 0.38 -0.98 117.98 125.92 3dcm s PHE 109 Ca 0.06 -1.20 -0.26 0.00 0.12 0.00 0.00 56.93 55.66 3dcm s PHE 109 Cb -0.14 -2.31 -0.08 0.00 -0.57 0.00 0.00 43.02 39.92 3dcm s PHE 109 CO 0.04 -0.67 0.83 0.12 -0.10 0.00 0.00 175.22 175.44 3dcm s PHE 110 N 1.46 3.89 0.03 0.36 5.36 0.83 -0.48 117.98 129.44 3dcm s PHE 110 Ca 0.00 1.70 0.06 0.00 -0.96 0.00 0.00 56.93 57.74 3dcm s PHE 110 Cb -0.19 -2.82 -0.02 0.00 -0.34 0.00 0.00 43.02 39.65 3dcm s PHE 110 CO 0.04 0.46 -0.18 0.95 -1.46 0.00 0.00 175.22 175.03 3dcm s THR 111 N -1.22 1.47 -0.28 0.12 -4.23 -1.21 -1.27 115.64 109.03 3dcm s THR 111 Ca 0.39 -1.08 -0.25 0.00 -1.18 0.00 0.00 61.69 59.57 3dcm s THR 111 Cb -0.23 -1.29 0.11 0.00 1.34 0.00 0.00 72.50 72.43 3dcm s THR 111 CO 0.27 0.18 0.96 -0.55 -0.54 0.00 0.00 174.62 174.93 3dcm s SER 112 N -1.06 -0.52 0.55 3.99 0.15 -1.26 -4.74 113.70 110.80 3dcm s SER 112 Ca 0.06 1.01 0.31 0.00 0.70 0.00 0.00 55.95 58.03 3dcm s SER 112 Cb -0.08 1.03 1.55 0.00 -1.71 0.00 0.00 66.02 66.80 3dcm s SER 112 CO 0.01 -0.17 2.08 0.00 1.20 0.00 0.00 173.24 176.36 3dcm h ALA 113 N 4.40 1.15 -2.56 5.45 0.00 -1.93 -3.31 119.26 122.46 3dcm h ALA 113 Ca -0.28 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 53.94 3dcm h ALA 113 Cb 1.17 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 3dcm h ALA 113 CO 0.09 0.11 0.07 0.21 0.00 0.00 0.00 179.25 179.73 3dcm s LYS 114 N -4.03 4.14 0.10 0.00 2.20 -1.26 -4.75 119.74 116.14 3dcm s LYS 114 Ca -0.02 0.48 -0.31 0.00 -0.36 0.00 0.00 55.97 55.77 3dcm s LYS 114 Cb 0.12 -3.62 -0.10 0.00 -1.51 0.00 0.00 37.83 32.72 3dcm s LYS 114 CO 0.55 -0.31 1.88 0.21 -0.36 0.00 0.00 175.35 177.32 3dcm s LYS 115 N 2.18 4.13 0.20 4.03 2.47 -1.26 -4.83 119.74 126.67 3dcm s LYS 115 Ca 0.25 2.62 0.07 0.00 -1.56 0.00 0.00 55.97 57.35 3dcm s LYS 115 Cb -0.16 -3.76 -0.04 0.00 -1.46 0.00 0.00 37.83 32.41 3dcm s LYS 115 CO 0.09 -0.88 0.10 1.03 0.16 0.00 0.00 175.35 175.84 3dcm s ARG 116 N 3.25 2.69 0.55 4.03 3.00 -1.26 -5.12 118.95 126.10 3dcm s ARG 116 Ca 0.84 -1.06 -0.21 0.00 0.00 0.00 0.00 55.73 55.30 3dcm s ARG 116 Cb -0.45 -2.48 -0.05 0.00 0.00 0.00 0.00 34.95 31.97 3dcm s ARG 116 CO 0.38 0.44 1.28 -1.83 0.00 0.00 0.00 175.30 175.57 3dcm s GLU 117 N -3.33 3.17 -1.24 3.54 1.03 -1.26 -4.18 118.70 116.43 3dcm s GLU 117 Ca 0.31 2.04 -0.01 0.00 0.03 0.00 0.00 54.97 57.33 3dcm s GLU 117 Cb -0.09 -2.17 0.00 0.00 -0.80 0.00 0.00 34.13 31.07 3dcm s GLU 117 CO 0.22 -1.11 0.93 0.09 -1.33 0.00 0.00 175.26 174.07 3dcm n ASN 118 N -1.13 -2.06 -4.99 0.83 3.02 -1.26 -5.02 115.26 104.65 3dcm n ASN 118 Ca 0.11 -0.67 -0.19 0.00 -0.03 0.00 0.00 54.58 53.80 3dcm n ASN 118 Cb 0.47 -4.84 0.02 0.00 -0.61 0.00 0.00 39.78 34.81 3dcm n ASN 118 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3dcm s ASP 119 N -4.30 5.33 0.18 6.41 1.47 -1.26 -4.60 116.67 119.89 3dcm s ASP 119 Ca 0.04 -0.65 0.09 0.00 1.18 0.00 0.00 52.55 53.21 3dcm s ASP 119 Cb -0.02 -0.30 -0.04 0.00 -0.34 0.00 0.00 42.92 42.22 3dcm s ASP 119 CO 0.75 -0.93 -0.13 0.27 0.68 0.00 0.00 175.17 175.81 3dcm s ILE 120 N -2.49 2.98 0.78 2.11 -4.36 0.99 -4.90 121.20 116.31 3dcm s ILE 120 Ca 0.54 -1.72 -0.12 0.00 -0.26 0.00 0.00 60.65 59.10 3dcm s ILE 120 Cb -0.07 -2.46 0.06 0.00 1.25 0.00 0.00 42.46 41.24 3dcm s ILE 120 CO 0.33 -0.09 1.13 -0.94 0.24 0.00 0.00 174.94 175.61 3dcm s SER 121 N -2.73 4.73 0.37 4.36 1.04 -1.26 -0.22 113.70 119.99 3dcm s SER 121 Ca 0.23 1.05 0.11 0.00 0.48 0.00 0.00 55.95 57.82 3dcm s SER 121 Cb -0.09 -1.72 0.72 0.00 0.10 0.00 0.00 66.02 65.04 3dcm s SER 121 CO 0.14 -1.79 1.85 -0.26 0.98 0.00 0.00 173.24 174.15 3dcm h PHE 122 N -0.97 0.11 -0.37 5.02 0.04 -1.97 -0.21 116.94 118.59 3dcm h PHE 122 Ca -0.46 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.27 3dcm h PHE 122 Cb 1.29 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.39 3dcm h PHE 122 CO 0.41 0.39 0.18 1.49 -0.60 0.00 0.00 178.31 180.19 3dcm h GLU 123 N 0.09 0.54 -0.66 1.51 4.81 -1.93 0.13 114.58 119.07 3dcm h GLU 123 Ca 0.01 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 3dcm h GLU 123 Cb 0.58 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 3dcm h GLU 123 CO 0.04 0.48 0.21 0.93 -0.73 0.00 0.00 179.01 179.94 3dcm h GLU 124 N 0.47 1.01 -0.44 1.92 5.08 -1.85 -1.41 114.58 119.36 3dcm h GLU 124 Ca 0.13 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3dcm h GLU 124 Cb 0.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3dcm h GLU 124 CO -0.02 0.86 0.03 0.78 -1.00 0.00 0.00 179.01 179.66 3dcm h GLY 125 N 1.06 0.81 0.99 -3.84 0.00 -0.81 -2.33 103.07 98.95 3dcm h GLY 125 Ca 0.22 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.98 3dcm h GLY 125 CO -0.01 0.53 0.26 -0.09 0.00 0.00 0.00 176.54 177.23 3dcm h ARG 126 N 0.60 0.51 -0.34 4.80 2.43 -0.55 -2.19 114.38 119.64 3dcm h ARG 126 Ca 0.13 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 3dcm h ARG 126 Cb 0.45 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 3dcm h ARG 126 CO 0.02 0.34 0.03 -0.09 -1.51 0.00 0.00 179.97 178.76 3dcm h ARG 127 N 0.53 0.13 -0.29 0.20 2.43 -1.18 -0.57 114.38 115.63 3dcm h ARG 127 Ca 0.15 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 3dcm h ARG 127 Cb -0.05 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 3dcm h ARG 127 CO -0.04 0.09 -0.06 0.82 -1.51 0.00 0.00 179.97 179.27 3dcm h ILE 128 N 0.14 0.72 -0.52 1.20 2.04 -1.14 -0.71 117.51 119.24 3dcm h ILE 128 Ca 0.17 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.98 3dcm h ILE 128 Cb 0.21 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3dcm h ILE 128 CO -0.25 0.00 0.13 0.40 0.00 0.00 0.00 178.15 178.44 3dcm h ILE 129 N 0.01 1.22 -0.11 -0.67 2.04 -0.86 -0.14 117.51 119.00 3dcm h ILE 129 Ca 0.14 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3dcm h ILE 129 Cb 0.21 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3dcm h ILE 129 CO -0.29 0.29 0.02 0.40 0.00 0.00 0.00 178.15 178.57 3dcm h ILE 130 N 0.77 1.20 0.00 -0.67 1.08 -0.66 -1.40 117.51 117.83 3dcm h ILE 130 Ca 0.17 -0.63 -0.03 0.00 -0.39 0.00 0.00 64.86 63.98 3dcm h ILE 130 Cb 0.27 1.43 -0.00 0.00 -3.07 0.00 0.00 36.82 35.44 3dcm h ILE 130 CO -0.00 0.18 -0.55 1.05 -0.69 0.00 0.00 178.15 178.14 3dcm h GLU 131 N -0.04 0.00 -7.01 2.37 4.11 -0.87 -3.40 114.58 109.74 3dcm h GLU 131 Ca 0.03 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.98 3dcm h GLU 131 Cb 0.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.52 3dcm h GLU 131 CO 0.00 0.10 0.25 -0.08 0.07 0.00 0.00 179.01 179.35 3dcm s THR 132 N -3.20 4.64 -1.50 -1.06 -1.32 -0.09 -4.97 115.64 108.14 3dcm s THR 132 Ca 0.03 0.97 0.14 0.00 -1.21 0.00 0.00 61.69 61.63 3dcm s THR 132 Cb 0.07 -3.71 0.04 0.00 -1.51 0.00 0.00 72.50 67.40 3dcm s THR 132 CO 0.74 -0.56 0.85 -0.62 -2.21 0.00 0.00 174.62 172.82 3dcm n GLU 133 N -1.32 1.51 -2.70 7.08 -0.58 -1.26 -2.50 120.64 120.87 3dcm n GLU 133 Ca 0.05 -0.99 -0.35 0.00 -0.42 0.00 0.00 57.16 55.44 3dcm n GLU 133 Cb 0.54 -1.24 -0.06 0.00 -0.57 0.00 0.00 31.44 30.12 3dcm n GLU 133 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3dcm s LYS 134 N -1.51 4.23 0.57 3.49 1.02 -1.26 -4.91 119.74 121.36 3dcm s LYS 134 Ca 0.14 1.31 -0.20 0.00 0.02 0.00 0.00 55.97 57.24 3dcm s LYS 134 Cb 0.12 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.98 3dcm s LYS 134 CO 0.28 -0.05 1.24 -1.25 -0.92 0.00 0.00 175.35 174.65 3dcm s PRO 135 N -2.75 3.08 -0.04 -1.68 0.04 -1.26 -4.69 135.00 127.71 3dcm s PRO 135 Ca 0.59 1.91 0.07 0.00 0.04 0.00 0.00 61.00 63.61 3dcm s PRO 135 Cb -0.16 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 3dcm s PRO 135 CO 0.20 -1.14 -0.24 0.08 0.04 0.00 0.00 177.00 175.95 3dcm s VAL 136 N -1.52 2.23 -0.16 -0.36 1.01 -0.83 -0.91 120.40 119.86 3dcm s VAL 136 Ca 0.75 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3dcm s VAL 136 Cb -0.32 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.29 3dcm s VAL 136 CO 0.36 0.58 -0.10 -0.22 0.00 0.00 0.00 175.10 175.72 3dcm s LEU 137 N -0.46 1.77 -0.22 3.92 2.96 0.35 -0.30 118.68 126.71 3dcm s LEU 137 Ca 0.05 -0.62 -0.18 0.00 -0.22 0.00 0.00 54.13 53.16 3dcm s LEU 137 Cb -0.11 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 3dcm s LEU 137 CO 0.01 -0.12 0.51 -0.63 -1.32 0.00 0.00 176.35 174.79 3dcm s ILE 138 N 1.53 5.10 -0.17 6.68 1.01 -0.13 -0.47 121.20 134.75 3dcm s ILE 138 Ca 0.02 0.91 -0.08 0.00 0.00 0.00 0.00 60.65 61.50 3dcm s ILE 138 Cb -0.14 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3dcm s ILE 138 CO -0.09 0.16 0.10 -0.76 0.00 0.00 0.00 174.94 174.35 3dcm s LEU 139 N 1.81 4.09 -0.03 2.97 1.43 0.36 -0.97 118.68 128.34 3dcm s LEU 139 Ca 0.23 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 3dcm s LEU 139 Cb -0.15 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 3dcm s LEU 139 CO 0.09 0.24 -0.22 -0.76 0.23 0.00 0.00 176.35 175.93 3dcm s LEU 140 N -0.02 2.03 0.50 1.79 1.43 -0.06 -3.29 118.68 121.07 3dcm s LEU 140 Ca 0.08 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 3dcm s LEU 140 Cb -0.12 -1.17 0.03 0.00 0.03 0.00 0.00 46.19 44.96 3dcm s LEU 140 CO 0.00 0.25 0.69 -0.83 0.23 0.00 0.00 176.35 176.70 3dcm s GLY 141 N -0.37 1.87 0.06 -3.19 0.00 -1.26 -0.54 107.32 103.89 3dcm s GLY 141 Ca 0.04 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.21 3dcm s GLY 141 CO 0.01 -1.30 0.02 -1.30 0.00 0.00 0.00 173.10 170.53 3dcm n THR 142 N -2.14 0.00 0.00 0.90 -2.24 -1.19 -4.78 114.28 104.84 3dcm n THR 142 Ca 0.09 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3dcm n THR 142 Cb 0.60 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3dcm n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dcm n GLY 143 N 1.72 3.69 1.48 3.38 0.00 -1.26 -1.06 105.19 113.13 3dcm n GLY 143 Ca -0.01 0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.13 3dcm n GLY 143 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dcm n TRP 144 N 14.00 1.67 0.00 1.61 8.01 -0.55 -5.04 117.44 137.14 3dcm n TRP 144 Ca 0.00 -1.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.19 3dcm n TRP 144 Cb 0.00 -0.49 0.00 0.00 -2.01 0.00 0.00 31.31 28.81 3dcm n TRP 144 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dcm n GLY 145 N -0.18 1.99 3.74 6.99 0.00 -0.22 -4.77 105.19 112.74 3dcm n GLY 145 Ca 0.30 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 3dcm n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dcm s LEU 146 N 0.00 4.43 0.73 0.99 1.43 -1.26 -1.81 118.68 123.19 3dcm s LEU 146 Ca 0.00 2.36 -0.12 0.00 -1.03 0.00 0.00 54.13 55.34 3dcm s LEU 146 Cb 0.00 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.63 3dcm s LEU 146 CO 0.00 -0.46 1.11 -2.16 0.23 0.00 0.00 176.35 175.08 3dcm s PRO 147 N -0.33 2.69 0.33 1.29 0.04 -1.26 -4.83 135.00 132.93 3dcm s PRO 147 Ca 0.54 0.40 0.04 0.00 0.04 0.00 0.00 61.00 62.02 3dcm s PRO 147 Cb -0.35 -2.01 0.67 0.00 0.04 0.00 0.00 34.50 32.85 3dcm s PRO 147 CO 0.39 -1.14 1.91 -0.44 0.04 0.00 0.00 177.00 177.75 3dcm h ASP 148 N -0.73 0.77 -0.11 6.66 3.32 -1.97 -1.30 116.42 123.06 3dcm h ASP 148 Ca -0.45 0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.63 3dcm h ASP 148 Cb 1.27 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 3dcm h ASP 148 CO 0.64 0.46 0.07 1.05 -1.72 0.00 0.00 179.24 179.75 3dcm h GLU 149 N 0.86 0.09 0.23 3.56 4.11 -1.99 0.30 114.58 121.74 3dcm h GLU 149 Ca 0.39 -0.01 -0.34 0.00 0.07 0.00 0.00 59.36 59.48 3dcm h GLU 149 Cb 0.39 -0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.65 3dcm h GLU 149 CO -0.16 0.06 -1.57 0.82 0.07 0.00 0.00 179.01 178.23 3dcm h ILE 150 N 0.10 1.16 -0.81 -1.06 2.04 -1.68 -3.29 117.51 113.95 3dcm h ILE 150 Ca 0.04 -2.62 0.16 0.00 1.00 0.00 0.00 64.86 63.44 3dcm h ILE 150 Cb 0.06 2.95 -0.10 0.00 -0.74 0.00 0.00 36.82 38.99 3dcm h ILE 150 CO -0.01 0.82 0.36 0.25 0.00 0.00 0.00 178.15 179.57 3dcm h LEU 151 N 0.12 0.36 -1.81 1.44 5.85 -0.52 -2.35 115.31 118.40 3dcm h LEU 151 Ca -0.29 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3dcm h LEU 151 Cb 2.13 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 43.24 3dcm h LEU 151 CO 0.24 0.11 -0.15 -0.33 -0.34 0.00 0.00 178.44 177.97 3dcm h GLU 152 N 0.48 0.00 -0.19 1.25 4.39 -0.50 -2.49 114.58 117.52 3dcm h GLU 152 Ca 0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.16 3dcm h GLU 152 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3dcm h GLU 152 CO -0.42 0.15 0.00 0.44 -1.16 0.00 0.00 179.01 178.02 3dcm n ILE 153 N -3.86 0.25 -2.86 3.13 -6.64 -0.93 -4.97 119.36 103.49 3dcm n ILE 153 Ca -0.02 -0.63 -0.40 0.00 -1.77 0.00 0.00 62.75 59.93 3dcm n ILE 153 Cb 0.25 1.21 -0.05 0.00 -1.44 0.00 0.00 39.64 39.61 3dcm n ILE 153 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3dcm s SER 154 N -1.60 7.38 0.10 7.28 0.01 -0.94 -4.88 113.70 121.06 3dcm s SER 154 Ca 0.30 1.65 -0.12 0.00 1.31 0.00 0.00 55.95 59.09 3dcm s SER 154 Cb 0.19 -2.53 -0.15 0.00 0.21 0.00 0.00 66.02 63.74 3dcm s SER 154 CO 0.28 0.02 1.31 0.44 0.41 0.00 0.00 173.24 175.70 3dcm h ASP 155 N 5.34 0.94 -4.21 2.44 3.32 -1.69 -3.46 116.42 119.10 3dcm h ASP 155 Ca -0.44 -0.62 -0.29 0.00 0.02 0.00 0.00 57.03 55.70 3dcm h ASP 155 Cb 1.21 -0.28 -0.26 0.00 0.22 0.00 0.00 39.33 40.22 3dcm h ASP 155 CO 0.70 1.42 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.59 3dcm s TYR 156 N -3.74 0.45 -0.23 4.55 2.02 -0.15 -5.00 117.35 115.25 3dcm s TYR 156 Ca -0.10 -0.23 -0.04 0.00 -0.37 0.00 0.00 57.07 56.33 3dcm s TYR 156 Cb 0.09 -0.29 -0.00 0.00 -0.40 0.00 0.00 41.96 41.36 3dcm s TYR 156 CO 0.91 -0.04 -0.03 0.08 -1.57 0.00 0.00 175.55 174.89 3dcm s VAL 157 N -0.57 3.39 0.27 0.71 1.01 -1.26 -0.12 120.40 123.83 3dcm s VAL 157 Ca -0.03 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 3dcm s VAL 157 Cb -0.05 -2.59 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 3dcm s VAL 157 CO -0.00 0.36 1.18 -0.76 0.00 0.00 0.00 175.10 175.87 3dcm s LEU 158 N 1.47 4.50 0.80 3.92 1.43 -0.40 -0.01 118.68 130.39 3dcm s LEU 158 Ca 0.05 2.36 -0.14 0.00 -1.03 0.00 0.00 54.13 55.37 3dcm s LEU 158 Cb -0.15 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.48 3dcm s LEU 158 CO -0.03 -0.30 0.90 -1.84 0.23 0.00 0.00 176.35 175.32 3dcm n GLU 159 N 1.46 0.20 -1.97 1.70 0.28 0.69 -4.48 120.64 118.52 3dcm n GLU 159 Ca 0.01 0.13 -0.38 0.00 -0.16 0.00 0.00 57.16 56.76 3dcm n GLU 159 Cb 0.44 -2.18 0.02 0.00 1.43 0.00 0.00 31.44 31.15 3dcm n GLU 159 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 3dcm s PRO 160 N -3.61 3.35 0.22 3.44 0.02 -1.25 -4.82 135.00 132.35 3dcm s PRO 160 Ca 0.69 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 63.45 3dcm s PRO 160 Cb -0.30 -2.29 -0.10 0.00 0.02 0.00 0.00 34.50 31.84 3dcm s PRO 160 CO 0.55 -0.96 1.43 0.42 -0.33 0.00 0.00 177.00 178.10 3dcm s ILE 161 N -1.41 2.81 -1.39 2.83 1.01 -1.26 -3.59 121.20 120.20 3dcm s ILE 161 Ca 0.69 0.66 -0.03 0.00 0.00 0.00 0.00 60.65 61.97 3dcm s ILE 161 Cb -0.35 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.72 3dcm s ILE 161 CO 0.42 0.09 0.67 0.54 0.00 0.00 0.00 174.94 176.66 3dcm n ARG 162 N 2.73 -4.47 0.24 2.79 5.12 -1.26 -4.88 116.66 116.93 3dcm n ARG 162 Ca 0.08 0.54 0.07 0.00 -1.93 0.00 0.00 57.85 56.61 3dcm n ARG 162 Cb 0.41 -5.04 0.59 0.00 -1.16 0.00 0.00 32.46 27.26 3dcm n ARG 162 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dcm h ALA 163 N 0.88 1.91 -0.03 7.54 0.00 -1.91 -2.49 119.26 125.15 3dcm h ALA 163 Ca -0.61 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3dcm h ALA 163 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3dcm h ALA 163 CO 0.61 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.97 3dcm n GLN 164 N -4.48 1.77 -1.65 0.00 3.00 -1.26 -4.92 117.38 109.84 3dcm n GLN 164 Ca -0.03 -1.12 -0.30 0.00 -0.01 0.00 0.00 57.00 55.54 3dcm n GLN 164 Cb 0.13 -1.47 0.06 0.00 0.00 0.00 0.00 30.24 28.96 3dcm n GLN 164 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3dcm s SER 165 N -1.96 5.09 0.00 1.08 0.15 -0.94 -4.96 113.70 112.17 3dcm s SER 165 Ca 0.36 1.38 0.29 0.00 0.70 0.00 0.00 55.95 58.68 3dcm s SER 165 Cb 0.21 -2.20 1.29 0.00 -1.71 0.00 0.00 66.02 63.62 3dcm s SER 165 CO 0.32 -1.60 1.95 -0.90 1.20 0.00 0.00 173.24 174.21 3dcm n ASP 166 N -3.20 0.04 -3.69 5.45 3.85 -1.26 -4.72 116.55 113.02 3dcm n ASP 166 Ca 0.07 0.25 -0.10 0.00 -0.71 0.00 0.00 54.79 54.29 3dcm n ASP 166 Cb 0.55 -0.39 -0.11 0.00 -1.35 0.00 0.00 41.12 39.82 3dcm n ASP 166 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 3dcm s PHE 167 N -2.86 -0.61 0.00 2.11 5.36 -1.26 -5.05 117.98 115.67 3dcm s PHE 167 Ca 0.19 1.28 0.13 0.00 -0.96 0.00 0.00 56.93 57.57 3dcm s PHE 167 Cb 0.19 0.25 0.22 0.00 -0.34 0.00 0.00 43.02 43.34 3dcm s PHE 167 CO 0.51 -0.36 1.05 0.27 -1.46 0.00 0.00 175.22 175.24 3dcm n ASN 168 N 4.44 0.38 -4.52 6.13 6.94 -1.26 -5.02 115.26 122.35 3dcm n ASN 168 Ca -0.21 -1.93 -0.43 0.00 -0.02 0.00 0.00 54.58 51.99 3dcm n ASN 168 Cb 0.54 -0.17 -0.00 0.00 -2.36 0.00 0.00 39.78 37.78 3dcm n ASN 168 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 3dcm s HIS 169 N 0.00 3.09 0.50 -2.53 3.76 -1.26 -4.81 115.29 114.04 3dcm s HIS 169 Ca 0.17 -1.76 -0.13 0.00 -0.15 0.00 0.00 55.06 53.20 3dcm s HIS 169 Cb 0.20 -4.53 -0.06 0.00 1.11 0.00 0.00 32.58 29.30 3dcm s HIS 169 CO -0.09 -1.62 0.92 -0.51 -0.85 0.00 0.00 174.74 172.59 3dcm s LEU 170 N 3.04 3.60 0.89 0.89 1.43 -1.26 -5.06 118.68 122.21 3dcm s LEU 170 Ca 0.47 1.36 -0.10 0.00 -1.03 0.00 0.00 54.13 54.83 3dcm s LEU 170 Cb 0.00 -4.31 0.13 0.00 0.03 0.00 0.00 46.19 42.04 3dcm s LEU 170 CO 0.02 -0.59 1.12 -0.94 0.23 0.00 0.00 176.35 176.19 3dcm s SER 171 N -3.40 3.30 0.34 2.29 1.04 -1.26 -4.83 113.70 111.19 3dcm s SER 171 Ca 0.55 2.00 0.12 0.00 0.48 0.00 0.00 55.95 59.10 3dcm s SER 171 Cb -0.10 -2.52 0.61 0.00 0.10 0.00 0.00 66.02 64.11 3dcm s SER 171 CO 0.37 -2.83 1.76 1.62 0.98 0.00 0.00 173.24 175.14 3dcm h VAL 172 N -1.68 1.31 -0.23 5.02 3.04 -1.97 -0.31 116.25 121.43 3dcm h VAL 172 Ca -0.45 -1.54 -0.06 0.00 -1.01 0.00 0.00 66.70 63.64 3dcm h VAL 172 Cb 1.26 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 32.37 3dcm h VAL 172 CO 0.46 0.44 -0.11 0.03 -1.01 0.00 0.00 177.57 177.38 3dcm h ARG 173 N 0.00 0.48 -0.28 4.17 3.08 -1.96 0.67 114.38 120.53 3dcm h ARG 173 Ca -0.00 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 3dcm h ARG 173 Cb 0.80 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3dcm h ARG 173 CO 0.06 0.75 -0.03 0.00 -1.07 0.00 0.00 179.97 179.68 3dcm h ALA 174 N 0.72 0.38 -0.02 0.04 0.00 -1.91 -2.28 119.26 116.19 3dcm h ALA 174 Ca 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3dcm h ALA 174 Cb 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dcm h ALA 174 CO 0.03 0.16 -0.05 0.00 0.00 0.00 0.00 179.25 179.39 3dcm h ALA 175 N 0.80 -0.04 -0.59 0.00 0.00 -1.06 -1.98 119.26 116.40 3dcm h ALA 175 Ca 0.08 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3dcm h ALA 175 Cb 0.48 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3dcm h ALA 175 CO 0.02 -0.54 0.25 0.00 0.00 0.00 0.00 179.25 178.98 3dcm h ALA 176 N 0.93 0.76 -0.33 0.00 0.00 -0.88 0.12 119.26 119.86 3dcm h ALA 176 Ca 0.03 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3dcm h ALA 176 Cb 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3dcm h ALA 176 CO -0.07 -0.14 0.12 0.00 0.00 0.00 0.00 179.25 179.16 3dcm h ALA 177 N 1.37 0.38 -0.05 0.00 0.00 -1.21 -0.80 119.26 118.96 3dcm h ALA 177 Ca 0.28 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3dcm h ALA 177 Cb 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3dcm h ALA 177 CO -0.25 -0.28 -0.05 0.82 0.00 0.00 0.00 179.25 179.49 3dcm h ILE 178 N 0.26 1.38 -0.33 0.00 2.04 -0.84 -1.22 117.51 118.80 3dcm h ILE 178 Ca 0.15 -1.20 0.07 0.00 1.00 0.00 0.00 64.86 64.88 3dcm h ILE 178 Cb 0.12 2.08 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 3dcm h ILE 178 CO -0.15 0.33 -0.14 0.40 0.00 0.00 0.00 178.15 178.59 3dcm h ILE 179 N -0.33 0.56 -0.47 -0.67 2.04 -0.67 0.57 117.51 118.54 3dcm h ILE 179 Ca 0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 3dcm h ILE 179 Cb 0.55 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3dcm h ILE 179 CO 0.01 0.00 0.12 0.40 0.00 0.00 0.00 178.15 178.68 3dcm h ILE 180 N -0.08 1.23 -0.75 -0.67 2.04 -1.13 -1.39 117.51 116.76 3dcm h ILE 180 Ca 0.17 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 3dcm h ILE 180 Cb 0.33 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3dcm h ILE 180 CO -0.38 0.29 0.46 -0.78 0.00 0.00 0.00 178.15 177.75 3dcm h ASP 181 N 0.63 0.89 -0.40 1.72 3.58 -0.84 0.19 116.42 122.19 3dcm h ASP 181 Ca 0.15 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.47 3dcm h ASP 181 Cb 0.31 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 3dcm h ASP 181 CO 0.00 0.68 0.01 0.03 -2.88 0.00 0.00 179.24 177.08 3dcm h ARG 182 N 1.03 0.79 0.16 0.28 3.08 -0.70 0.18 114.38 119.21 3dcm h ARG 182 Ca 0.27 -0.21 -0.32 0.00 0.07 0.00 0.00 59.98 59.79 3dcm h ARG 182 Cb -0.06 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 29.91 3dcm h ARG 182 CO -0.05 0.80 -1.56 -0.07 -1.07 0.00 0.00 179.97 178.01 3dcm h LEU 183 N 0.74 0.54 0.00 3.04 3.38 -1.03 -3.42 115.31 118.57 3dcm h LEU 183 Ca 0.15 -0.71 -0.37 0.00 0.09 0.00 0.00 57.88 57.04 3dcm h LEU 183 Cb 0.44 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3dcm h LEU 183 CO 0.02 1.59 -2.22 -0.38 0.09 0.00 0.00 178.44 177.54 3dcm n ILE 184 N -3.55 1.19 -4.03 1.22 2.08 0.65 -4.73 119.36 112.20 3dcm n ILE 184 Ca -0.18 -0.31 0.00 0.00 0.56 0.00 0.00 62.75 62.82 3dcm n ILE 184 Cb 1.06 -1.78 0.00 0.00 -0.75 0.00 0.00 39.64 38.18 3dcm n ILE 184 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3dcm n GLY 185 N 1.66 1.35 2.15 7.39 0.00 0.64 -3.06 105.19 115.32 3dcm n GLY 185 Ca -0.43 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 3dcm n GLY 185 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dcm n GLU 186 N 2.95 2.13 -4.05 1.61 -0.58 -1.26 -4.89 120.64 116.54 3dcm n GLU 186 Ca 0.00 -2.11 -0.35 0.00 -0.42 0.00 0.00 57.16 54.29 3dcm n GLU 186 Cb 0.00 -1.88 -0.10 0.00 -0.57 0.00 0.00 31.44 28.89 3dcm n GLU 186 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3dcm s ASN 187 N -0.16 5.45 0.00 1.62 -0.87 -1.17 -5.31 114.94 114.51 3dcm s ASN 187 Ca 0.44 0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.75 3dcm s ASN 187 Cb 0.33 -1.93 0.00 0.00 -0.02 0.00 0.00 41.25 39.63 3dcm s ASN 187 CO -0.07 0.16 0.38 -1.22 -2.57 0.00 0.00 177.10 173.77